NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
473372 | 2ju3 | 15429 | cing | 2-parsed | STAR | dipolar coupling | 57 |
data_2ju3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ju3 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_2ju3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ju3 _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ju3 "Master copy" parsed_2ju3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ju3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2ju3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ju3 1 1 2ju3.mr . . XML 2 peak "Not applicable" "Not applicable" 0 parsed_2ju3 1 1 2ju3.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 90 parsed_2ju3 1 1 2ju3.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2ju3 1 1 2ju3.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 182 parsed_2ju3 1 1 2ju3.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 57 parsed_2ju3 1 1 2ju3.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ju3 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2ju3 _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . -16.537 . . . . . 4 . N . 4 . HN parsed_2ju3 1 2 . . . . . . . . . . . . . . . . 7.235 . . . . . 5 . N . 5 . HN parsed_2ju3 1 3 . . . . . . . . . . . . . . . . 6.262 . . . . . 8 . N . 8 . HN parsed_2ju3 1 4 . . . . . . . . . . . . . . . . 9.667 . . . . . 9 . N . 9 . HN parsed_2ju3 1 5 . . . . . . . . . . . . . . . . 0.426 . . . . . 10 . N . 10 . HN parsed_2ju3 1 6 . . . . . . . . . . . . . . . . -13.984 . . . . . 11 . N . 11 . HN parsed_2ju3 1 7 . . . . . . . . . . . . . . . . -7.053 . . . . . 14 . N . 14 . HN parsed_2ju3 1 8 . . . . . . . . . . . . . . . . 5.107 . . . . . 16 . N . 16 . HN parsed_2ju3 1 9 . . . . . . . . . . . . . . . . 7.782 . . . . . 18 . N . 18 . HN parsed_2ju3 1 10 . . . . . . . . . . . . . . . . 1.216 . . . . . 19 . N . 19 . HN parsed_2ju3 1 11 . . . . . . . . . . . . . . . . 4.986 . . . . . 21 . N . 21 . HN parsed_2ju3 1 12 . . . . . . . . . . . . . . . . 7.357 . . . . . 22 . N . 22 . HN parsed_2ju3 1 13 . . . . . . . . . . . . . . . . 5.594 . . . . . 23 . N . 23 . HN parsed_2ju3 1 14 . . . . . . . . . . . . . . . . 5.472 . . . . . 24 . N . 24 . HN parsed_2ju3 1 15 . . . . . . . . . . . . . . . . 4.013 . . . . . 27 . N . 27 . HN parsed_2ju3 1 16 . . . . . . . . . . . . . . . . 7.782 . . . . . 28 . N . 28 . HN parsed_2ju3 1 17 . . . . . . . . . . . . . . . . -0.912 . . . . . 29 . N . 29 . HN parsed_2ju3 1 18 . . . . . . . . . . . . . . . . 0.912 . . . . . 30 . N . 30 . HN parsed_2ju3 1 19 . . . . . . . . . . . . . . . . 6.140 . . . . . 31 . N . 31 . HN parsed_2ju3 1 20 . . . . . . . . . . . . . . . . -7.600 . . . . . 33 . N . 33 . HN parsed_2ju3 1 21 . . . . . . . . . . . . . . . . 5.654 . . . . . 35 . N . 35 . HN parsed_2ju3 1 22 . . . . . . . . . . . . . . . . 4.621 . . . . . 40 . N . 40 . HN parsed_2ju3 1 23 . . . . . . . . . . . . . . . . 5.900 . . . . . 41 . N . 41 . HN parsed_2ju3 1 24 . . . . . . . . . . . . . . . . 4.438 . . . . . 42 . N . 42 . HN parsed_2ju3 1 25 . . . . . . . . . . . . . . . . 5.594 . . . . . 43 . N . 43 . HN parsed_2ju3 1 26 . . . . . . . . . . . . . . . . 4.682 . . . . . 46 . N . 46 . HN parsed_2ju3 1 27 . . . . . . . . . . . . . . . . 3.587 . . . . . 57 . N . 57 . HN parsed_2ju3 1 28 . . . . . . . . . . . . . . . . 4.925 . . . . . 58 . N . 58 . HN parsed_2ju3 1 29 . . . . . . . . . . . . . . . . 2.493 . . . . . 65 . N . 65 . HN parsed_2ju3 1 30 . . . . . . . . . . . . . . . . -14.774 . . . . . 66 . N . 66 . HN parsed_2ju3 1 31 . . . . . . . . . . . . . . . . 4.803 . . . . . 67 . N . 67 . HN parsed_2ju3 1 32 . . . . . . . . . . . . . . . . -4.986 . . . . . 68 . N . 68 . HN parsed_2ju3 1 33 . . . . . . . . . . . . . . . . 3.283 . . . . . 69 . N . 69 . HN parsed_2ju3 1 34 . . . . . . . . . . . . . . . . 4.013 . . . . . 76 . N . 76 . HN parsed_2ju3 1 35 . . . . . . . . . . . . . . . . -0.304 . . . . . 77 . N . 77 . HN parsed_2ju3 1 36 . . . . . . . . . . . . . . . . 4.499 . . . . . 78 . N . 78 . HN parsed_2ju3 1 37 . . . . . . . . . . . . . . . . 4.682 . . . . . 79 . N . 79 . HN parsed_2ju3 1 38 . . . . . . . . . . . . . . . . -0.730 . . . . . 82 . N . 82 . HN parsed_2ju3 1 39 . . . . . . . . . . . . . . . . -12.403 . . . . . 85 . N . 85 . HN parsed_2ju3 1 40 . . . . . . . . . . . . . . . . 1.459 . . . . . 86 . N . 86 . HN parsed_2ju3 1 41 . . . . . . . . . . . . . . . . 0.243 . . . . . 87 . N . 87 . HN parsed_2ju3 1 42 . . . . . . . . . . . . . . . . 11.065 . . . . . 89 . N . 89 . HN parsed_2ju3 1 43 . . . . . . . . . . . . . . . . -10.883 . . . . . 90 . N . 90 . HN parsed_2ju3 1 44 . . . . . . . . . . . . . . . . -8.025 . . . . . 94 . N . 94 . HN parsed_2ju3 1 45 . . . . . . . . . . . . . . . . -15.686 . . . . . 97 . N . 97 . HN parsed_2ju3 1 46 . . . . . . . . . . . . . . . . -11.369 . . . . . 99 . N . 99 . HN parsed_2ju3 1 47 . . . . . . . . . . . . . . . . -0.365 . . . . . 100 . N . 100 . HN parsed_2ju3 1 48 . . . . . . . . . . . . . . . . -4.438 . . . . . 104 . N . 104 . HN parsed_2ju3 1 49 . . . . . . . . . . . . . . . . -5.290 . . . . . 105 . N . 105 . HN parsed_2ju3 1 50 . . . . . . . . . . . . . . . . -3.709 . . . . . 108 . N . 108 . HN parsed_2ju3 1 51 . . . . . . . . . . . . . . . . -10.640 . . . . . 116 . N . 116 . HN parsed_2ju3 1 52 . . . . . . . . . . . . . . . . -6.627 . . . . . 117 . N . 117 . HN parsed_2ju3 1 53 . . . . . . . . . . . . . . . . -7.113 . . . . . 119 . N . 119 . HN parsed_2ju3 1 54 . . . . . . . . . . . . . . . . -12.889 . . . . . 122 . N . 122 . HN parsed_2ju3 1 55 . . . . . . . . . . . . . . . . -4.621 . . . . . 124 . N . 124 . HN parsed_2ju3 1 56 . . . . . . . . . . . . . . . . 6.323 . . . . . 126 . N . 126 . HN parsed_2ju3 1 57 . . . . . . . . . . . . . . . . 1.155 . . . . . 127 . N . 127 . HN parsed_2ju3 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; ! RDC table resid 500 contains the four atoms which define the tensor the coordinates of resid 500 are appended to the pdb use our pdf file for the tensor the data are in the format: assign (atomselection) value error ; 1 1 7 37 parsed_2ju3 1 stop_ save_
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